The Good Scents Company - Aromatic/Hydrocarbon/Inorganic Ingredients Catalog information
| Name: | 3,6-dimethyl-5,6-dihydro-4H-1-benzofuran-2-one | |
| CAS Number: | 80417-97-6 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 279-462-2 | |
| FDA UNII: | HQN74S1YWS | |
| Nikkaji Web: | J320.270D | |
| XlogP3-AA: | 1.90 (est) | |
| Molecular Weight: | 164.20404000 | |
| Formula: | C10 H12 O2 | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
Category:flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| DG SANTE Food Flavourings: | 10.034 5,6-dihydro-3,6-dimethylbenzofuran-2(4H)-one |
| FEMA Number: | 3755 dehydromenthofurolactone |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.09000 to 1.09600 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 9.070 to 9.120 |
| Refractive Index: | 1.54200 to 1.54800 @ 20.00 °C. |
| Boiling Point: | 264.00 to 266.00 °C. @ 10.00 mm Hg |
| Vapor Pressure: | 0.000154 mmHg @ 25.00 °C. (est) |
| Flash Point: | 278.00 °F. TCC ( 136.67 °C. ) |
| logP (o/w): | 1.927 (est) |
| Soluble in: | |
| alcohol | |
| water, slightly | |
| water, 1718 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water |
Organoleptic Properties:
| Odor Type: coumarinic |
| tonka hay coumarinic coconut |
| Odor Description:at 100.00 %. tonka hay coumarin coconut |
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
Safety Information:
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined |
Safety in Use Information:
| Category: | ||
| flavor and fragrance agents | ||
| RIFM Fragrance Material Safety Assessment: Search | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | ||
| Recommendation for tonka furanone usage levels up to: | ||
| 1.0000 % in the fragrance concentrate. | ||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 1.00 (μg/capita/day) | |
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.01 (μg/capita/day) | |
| Structure Class: | III | |
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | ||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | ||
| publication number: 15 | ||
| Click here to view publication 15 | ||
| average usual ppm | average maximum ppm | |
| baked goods: | - | - |
| beverages(nonalcoholic): | - | 1.00000 |
| beverages(alcoholic): | - | - |
| breakfast cereal: | - | - |
| cheese: | - | - |
| chewing gum: | - | 20.00000 |
| condiments / relishes: | - | - |
| confectionery froastings: | - | 5.00000 |
| egg products: | - | - |
| fats / oils: | - | - |
| fish products: | - | - |
| frozen dairy: | - | - |
| fruit ices: | - | - |
| gelatins / puddings: | - | 2.00000 |
| granulated sugar: | - | - |
| gravies: | - | - |
| hard candy: | - | 5.00000 |
| imitation dairy: | - | - |
| instant coffee / tea: | - | - |
| jams / jellies: | - | - |
| meat products: | - | - |
| milk products: | - | - |
| nut products: | - | - |
| other grains: | - | - |
| poultry: | - | - |
| processed fruits: | - | - |
| processed vegetables: | - | - |
| reconstituted vegetables: | - | - |
| seasonings / flavors: | - | - |
| snack foods: | - | - |
| soft candy: | - | - |
| soups: | - | - |
| sugar substitutes: | - | - |
| sweet sauces: | - | - |
Safety References:
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Flavouring Group Evaluation 217: alpha,beta-Unsaturated ketones and precursors from chemical subgroup 4.1 of FGE.19: Lactones[1] View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 217, Revision 1 (FGE.217Rev1). Consideration of genotoxic potential for a,�-unsaturated ketones and precursors from chemical subgroup 4.1 of FGE.19: Lactones View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 217 Revision 2 (FGE.217Rev2), consideration of genotoxic potential for a,�-unsaturated ketones and precursors from chemical subgroup 4.1 of FGE.19: lactones View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :3018936 |
| National Institute of Allergy and Infectious Diseases:Data |
| 3,6-dimethyl-5,6-dihydro-4H-1-benzofuran-2-one |
| Chemidplus:0080417976 |
References:
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| HMDB (The Human Metabolome Database): | HMDB37174 |
| FooDB: | FDB016170 |
| Export Tariff Code: | 2932.19.0000 |
| ChemSpider: | View |
| EFSA Update of results on the monitoring of furan levels in food: | Read Report |
| EFSA Previous report: Results on the monitoring of furan levels in food: | Read Report |
| EFSA Report of the CONTAM Panel on provisional findings on furan in food: | Read Report |
Potential Blenders and core components note
Potential Uses:
| FR | amber |
| FR | coconut |
| FR | hay new mown hay |
| FR | pina colada |
| FR | tonka bean |
| FL | tropical |
Occurrence (nature, food, other):note
Synonyms:
| 2(4H)- | benzofuranone, 5,6-dihydro-3,6-dimethyl- |
| dehydro menthofurolactone | |
| dehydromenthofurolactone | |
| 5,6- | dihydro-3,6-dimethyl benzofuran-2(4H)-one |
| 5,6- | dihydro-3,6-dimethyl-4H-benzofuran-2-one |
| 5,6- | dihydro-3,6-dimethylbenzofuran-2(4H)-one |
| 3,6- | dimethyl-5,6-dihydro-4H-1-benzofuran-2-one |